SCHEMBL6824964

SCHEMBL6824964

C[C@@H](CCNC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.42
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 1/20 0.36
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP3 P08254 2/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
PANK3 Q9H999 1/20 0.35
CASR P41180 1/20 0.35
RAB9A P51151 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6825616 0.91 LMNA (0.41) TRPV1KMT2ALMNAALDH1A1GAA
SCHEMBL6822383 0.91 LMNA (0.41) TRPV1KMT2ALMNAALDH1A1GAA
SCHEMBL6825381 0.90 TRPV1 (0.40) TRPV1KMT2ALMNAALDH1A1GAA
SCHEMBL6822316 0.86 LMNA (0.40) TRPV1KMT2ALMNAALDH1A1GAA
SCHEMBL6825512 0.84 RAB9A (0.43) KMT2ALMNAALDH1A1GAATSHR
SCHEMBL6827787 0.84 RAB9A (0.43) KMT2ALMNAALDH1A1GAATSHR
SCHEMBL6822351 0.83 LMNA (0.40) TRPV1KMT2ALMNAALDH1A1GAA
SCHEMBL6827866 0.83 LMNA (0.40) TRPV1KMT2ALMNAALDH1A1GAA
SCHEMBL6825333 0.83 RAB9A (0.41) KMT2ALMNAALDH1A1GAATSHR
SCHEMBL6825843 0.82 ALDH1A1 (0.53) KMT2ALMNAALDH1A1GAATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO claimed